(3S,4S)-1-(2,2-diphenylethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-(2,2-diphenylethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(2,2-diphenylethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-(2,2-diphenylethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(2,2-diphenylethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(2,2-diphenylethyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C27H34N4O+2 MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H32N4O/c32-26-21-29(19-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23)20-25(26)30-15-17-31(18-16-30)27-13-7-8-14-28-27/h1-14,24-26,32H,15-21H2/p+2/t25-,26-/m0/s1